1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone

C15H22N2O3S — CID 120741179

IUPAC1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
SMILESCCc1ccc(C2CNCCN2C(=O)CS(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-12-4-6-13(7-5-12)14-10-16-8-9-17(14)15(18)11-21(2,19)20/h4-7,14,16H,3,8-11H2,1-2H3
InChIKeyPFRNHEPKNYWPJU-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.77
Rot. Bonds4

About 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone (PubChem CID 120741179) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
PubChem CID120741179
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
SMILESCCc1ccc(C2CNCCN2C(=O)CS(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-12-4-6-13(7-5-12)14-10-16-8-9-17(14)15(18)11-21(2,19)20/h4-7,14,16H,3,8-11H2,1-2H3
InChIKeyPFRNHEPKNYWPJU-UHFFFAOYSA-N
XLogP0.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740036
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120741617
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
N-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120741447
5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120740657
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 120741509
N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120741686
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120741616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone?
The IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone (CID 120741179) is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone.
What is the SMILES notation for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone?
The canonical SMILES for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone is CCc1ccc(C2CNCCN2C(=O)CS(C)(=O)=O)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone?
The InChIKey is PFRNHEPKNYWPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-12-4-6-13(7-5-12)14-10-16-8-9-17(14)15(18)11-21(2,19)20/h4-7,14,16H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone?
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone has a molecular weight of 310.42 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone is sourced from PubChem (CID 120741179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).